![2-[(4'-Oxo-4H-quinazolin-3'-yl)methyl]-benzoic acid](/api/spectrum/H757PUbpwx2/structure.png?h=300&w=458 "2-[(4'-Oxo-4H-quinazolin-3'-yl)methyl]-benzoic acid")
| SpectraBase Compound ID | J4CeUA9thbf |
|---|---|
| InChI | InChI=1S/C16H12N2O3/c19-15-13-7-3-4-8-14(13)17-10-18(15)9-11-5-1-2-6-12(11)16(20)21/h1-8,10H,9H2,(H,20,21) |
| InChIKey | YXZPERBYVZHPJD-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C16H12N2O3 |
| Exact Mass | 280.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H757PUbpwx2 |
|---|---|
| Name | 2-[(4'-oxo-4H-Quinazolin-3'-yl)methyl]-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.084792251 u |
| Formula | C16H12N2O3 |
| InChI | InChI=1S/C16H12N2O3/c19-15-13-7-3-4-8-14(13)17-10-18(15)9-11-5-1-2-6-12(11)16(20)21/h1-8,10H,9H2,(H,20,21) |
| InChIKey | YXZPERBYVZHPJD-UHFFFAOYSA-N |
| SMILES | C1(N(C=NC2=CC=CC=C12)CC1=C(C(=O)O)C=CC=C1)=O |